Clomegestone

Clomegestone
Identifiers
	IUPAC name (1S,2R,10R,11S,13R,14R,15S)-14-acetyl-8-chloro-14-hydroxy-2,13,15-trimethyltetracyclo[8.7.0.02,7.011,15]heptadeca-6,8-dien-5-one;
CAS Number	5367-84-0;
PubChem CID	56840824;
ChemSpider	32701810;
UNII	ZHW74QJU5V;
CompTox Dashboard (EPA)	DTXSID201023859 ;
Chemical and physical data
Formula	C22H29ClO3
Molar mass	376.92 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1CC2C3C=C(C4=CC(=O)CCC4(C3CCC2(C1(C(=O)C)O)C)C)Cl;
	InChI InChI=1S/C22H29ClO3/c1-12-9-17-15-11-19(23)18-10-14(25)5-7-20(18,3)16(15)6-8-21(17,4)22(12,26)13(2)24/h10-12,15-17,26H,5-9H2,1-4H3/t12-,15-,16+,17+,20-,21+,22+/m1/s1; Key:GQBSINXSPAZDSK-ROXMKHFISA-N;

Clomegestone (INN), or clomagestone, also known as 6-chloro-17α-hydroxy-16α-methylpregna-4,6-diene-3,20-dione, is a steroidal progestin of the 17α-hydroxyprogesterone group that was never marketed.^[1]^[2] An acetate ester, clomegestone acetate, also exists, and similarly was never marketed.^[1]

References

Identifiers

IUPAC name (1S,2R,10R,11S,13R,14R,15S)-14-acetyl-8-chloro-14-hydroxy-2,13,15-trimethyltetracyclo[8.7.0.0^2,7.0^11,15]heptadeca-6,8-dien-5-one
CAS Number	5367-84-0
PubChem CID	56840824
ChemSpider	32701810
UNII	ZHW74QJU5V
CompTox Dashboard (EPA)	DTXSID201023859
Chemical and physical data
Formula	C₂₂H₂₉ClO₃
Molar mass	376.92 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1CC2C3C=C(C4=CC(=O)CCC4(C3CCC2(C1(C(=O)C)O)C)C)Cl
InChI InChI=1S/C22H29ClO3/c1-12-9-17-15-11-19(23)18-10-14(25)5-7-20(18,3)16(15)6-8-21(17,4)22(12,26)13(2)24/h10-12,15-17,26H,5-9H2,1-4H3/t12-,15-,16+,17+,20-,21+,22+/m1/s1 Key:GQBSINXSPAZDSK-ROXMKHFISA-N